Information card for entry 7225792

Structure parameters

• Formula: C31 H31 Cu N7 O5
• Calculated formula: C31 H31 Cu N7 O5
• Title of publication: Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands
• Authors of publication: Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 35
• Pages of publication: 6614
• a: 16.7033 ± 0.0017 Å
• b: 9.3648 ± 0.0009 Å
• c: 19.686 ± 0.003 Å
• α: 90°
• β: 108.139 ± 0.005°
• γ: 90°
• Cell volume: 2926.3 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1287
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No